4-mercapto-2-butanone
2-keto-4-butanethiol
Identification
| Name | 4-mercapto-2-butanone |
| IUPAC | 4-sulfanylbutan-2-one |
| CAS Number | 34619-12-0 |
| FDA UNII | RZB3QJ7Y8Q |
| Molecular Formula | C4 H8 O S |
| Molecular Weight | 104.17196000 |
| MDL Number | MFCD03005196 |
| Nikkaji Number | J740.286D |
| CoE Number | 11498 |
Regulatory
| JECFA Food Flavoring | 559 2-keto-4-butanethiol |
| DG SANTE Food Flavourings | 12.055 1-mercaptobutan-3-one |
| FEMA Number | 3357 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 34619-12-0 ; 2-KETO-4-BUTANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.85500 to 0.86100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.114 to 7.164 |
| Refractive Index | 1.47200 to 1.47800 @ 20.00 °C. |
| Boiling Point | 59.00 to 60.00 °C. @ 15.00 mm Hg, 166.00 to 167.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.740000 mmHg @ 25.00 °C. (est) |
| Flash Point | 130.00 °F. TCC ( 54.44 °C. ) |
| logP (o/w) | 0.667 (est) |
| Soluble in | water, 7.669e+004 mg/L @ 25 °C (est) |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 4-mercapto-2-butanone usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
BOC Sciences
Best of Chemicals Supplier
Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecul...
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
Potential Uses
Natural Occurrence
Synonyms
2-keto-4-
butane thiol
2-keto-4-
butanethiol
2-
butanone, 4-mercapto-
1-
mercaptobutan-3-one
4-
sulfanylbutan-2-one
Try the PubMed Search.